SCHEMBL3558644

SCHEMBL3558644

O=C(O)c1coc(C2CCC(O)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.37
MME P08473 3/20 0.35
DYRK1A Q13627 6/20 0.34
GSK3B P49841 4/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
PTGER2 P43116 1/20 0.34
PTGIR P43119 1/20 0.34
BACE1 P56817 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
HCRTR2 O43614 1/20 0.32
PRKCB P05771 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3436265 1.00 HCAR2 (0.37) HCAR2MMEDYRK1AGSK3BIRAK4
SCHEMBL3436264 1.00 HCAR2 (0.37) HCAR2MMEDYRK1AGSK3BIRAK4
SCHEMBL12984738 0.93 HCAR2 (0.41) HCAR2MMEDYRK1AGSK3BIRAK4
SCHEMBL3547638 0.83 IRAK4 (0.39) HCAR2MMEDYRK1AGSK3BIRAK4
SCHEMBL2079741 0.83 CHRM2 (0.37) DYRK1AGSK3BIRAK4BACE1PRKCB
SCHEMBL3436252 0.83 CHRM2 (0.37) DYRK1AGSK3BIRAK4BACE1PRKCB
SCHEMBL10068463 0.79 DYRK1A (0.39) DYRK1AGSK3BIRAK4
SCHEMBL10037330 0.79 DYRK1A (0.37) DYRK1AGSK3BIRAK4PTGER2PTGIR
SCHEMBL1807234 0.78 NPC1 (0.44) DYRK1AGSK3B
SCHEMBL12467250 0.77 ALDH1A1 (0.45) MMEDYRK1AGSK3BIRAK4BACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HCAR2 107/4885MME 2086/4885DYRK1A 212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.